2-(5-chloro-1-ethylindol-2-yl)ethanol

C12H14ClNO — CID 117121550

IUPAC2-(5-chloro-1-ethylindol-2-yl)ethanol
SMILESCCn1c(CCO)cc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO/c1-2-14-11(5-6-15)8-9-7-10(13)3-4-12(9)14/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyNUPAQRNGSFPPTG-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.85
Rot. Bonds3

About 2-(5-chloro-1-ethylindol-2-yl)ethanol

2-(5-chloro-1-ethylindol-2-yl)ethanol (PubChem CID 117121550) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1-ethylindol-2-yl)ethanol
PubChem CID117121550
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-(5-chloro-1-ethylindol-2-yl)ethanol
SMILESCCn1c(CCO)cc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO/c1-2-14-11(5-6-15)8-9-7-10(13)3-4-12(9)14/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyNUPAQRNGSFPPTG-UHFFFAOYSA-N
XLogP2.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
3-(1-ethyl-5-methylindol-2-yl)propanoic acid
CID 117121517
2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
[5-(aminomethyl)-1-ethylindol-2-yl]methanol
CID 117177076
6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
CID 117180802
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
1-ethyl-2-(methoxymethyl)indol-5-ol
CID 117177336
[1-[3-(amino-methyl-oxo-λ6-sulfanylidene)propyl]-5-chloroindol-2-yl]methanol
CID 123941620
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylindol-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-1-ethylindol-2-yl)ethanol (CID 117121550) is 2-(5-chloro-1-ethylindol-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1-ethylindol-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1-ethylindol-2-yl)ethanol is CCn1c(CCO)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-ethylindol-2-yl)ethanol?
The InChIKey is NUPAQRNGSFPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-2-14-11(5-6-15)8-9-7-10(13)3-4-12(9)14/h3-4,7-8,15H,2,5-6H2,1H3.
What are the key properties of 2-(5-chloro-1-ethylindol-2-yl)ethanol?
2-(5-chloro-1-ethylindol-2-yl)ethanol has a molecular weight of 223.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethylindol-2-yl)ethanol is sourced from PubChem (CID 117121550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).